| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1575773
Max Phase: Preclinical
Molecular Formula: C21H18FN3O4
Molecular Weight: 395.39
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C=CCN1C(=O)c2ccc(C(=O)N(C)CC(=O)Nc3cccc(F)c3)cc2C1=O
Standard InChI: InChI=1S/C21H18FN3O4/c1-3-9-25-20(28)16-8-7-13(10-17(16)21(25)29)19(27)24(2)12-18(26)23-15-6-4-5-14(22)11-15/h3-8,10-11H,1,9,12H2,2H3,(H,23,26)
Standard InChI Key: VTSVQHAYOWIHSF-UHFFFAOYSA-N
Associated Targets(Human)
Muscleblind-like protein 1 34431 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 395.39 | Molecular Weight (Monoisotopic): 395.1281 | AlogP: 2.32 | #Rotatable Bonds: 6 |
| Polar Surface Area: 86.79 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.98 | CX Basic pKa: | CX LogP: 2.00 | CX LogD: 2.00 |
| Aromatic Rings: 2 | Heavy Atoms: 29 | QED Weighted: 0.60 | Np Likeness Score: -2.01 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):